# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'B12' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co0 Co -15.83200 86.17600 50.59500 1.000 N1 N -14.58400 86.68500 51.86500 1.000 N2 N -17.28900 86.57100 51.76700 1.000 N3 N -16.84900 85.67200 49.15000 1.000 N4 N -14.28000 86.10800 49.49300 1.000 C5 C -13.15200 86.39600 51.61100 1.000 C6 C -12.77800 84.93800 51.98900 1.000 C7 C -12.40500 87.46700 52.51600 1.000 C8 C -10.98600 86.98800 52.94000 1.000 C9 C -12.38400 88.84000 51.79400 1.000 C10 C -12.07400 89.97900 52.77100 1.000 O11 O -12.87400 90.62800 53.44800 1.000 N12 N -10.78500 90.30800 52.90400 1.000 C13 C -13.40800 87.56700 53.69100 1.000 C14 C -13.11800 86.70700 54.98900 1.000 C15 C -12.31000 87.55900 56.02300 1.000 C16 C -11.50600 86.77500 57.06500 1.000 O17 O -10.86100 87.41200 57.90400 1.000 N18 N -11.48000 85.43900 57.10600 1.000 C19 C -14.73200 87.22800 53.03900 1.000 C20 C -16.02000 87.48400 53.64400 1.000 C21 C -15.99600 88.14600 55.05100 1.000 C22 C -17.20600 87.16700 53.02400 1.000 C23 C -18.60300 87.40000 53.60800 1.000 C24 C -18.87500 86.63500 54.90500 1.000 C25 C -18.84900 88.94200 53.74700 1.000 C26 C -20.10600 89.18300 54.63600 1.000 O27 O -21.21700 88.81200 54.16300 1.000 N28 N -19.92800 89.74500 55.81400 1.000 C29 C -19.53500 86.95500 52.43000 1.000 C30 C -20.37400 85.69600 52.84000 1.000 C31 C -19.56500 84.39500 52.71900 1.000 C32 C -20.22600 83.24700 53.39700 1.000 O33 O -19.61500 82.64300 54.31700 1.000 N34 N -21.45100 82.81700 53.05900 1.000 C35 C -18.55600 86.53700 51.35500 1.000 C36 C -19.00500 86.16300 50.10700 1.000 C37 C -18.19800 85.76800 49.06700 1.000 C38 C -18.70000 85.37200 47.69200 1.000 C39 C -18.67000 86.69500 46.84900 1.000 C40 C -20.13400 84.77500 47.66900 1.000 C41 C -17.55900 84.44900 47.22700 1.000 C42 C -17.72000 82.94800 47.67100 1.000 C43 C -18.60800 82.19100 46.65800 1.000 C44 C -18.50700 80.66700 46.88900 1.000 O45 O -17.34600 80.21000 47.19400 1.000 N46 N -19.54700 79.91300 46.79000 1.000 C47 C -16.41600 85.02900 48.00500 1.000 C48 C -15.12400 84.88600 47.54900 1.000 C49 C -14.81900 84.14500 46.24500 1.000 C50 C -14.12500 85.46400 48.38600 1.000 C51 C -12.61100 85.44000 48.04900 1.000 C52 C -12.76800 86.69100 47.09000 1.000 C53 C -11.95800 84.34900 47.25200 1.000 C54 C -11.92600 82.96900 47.96300 1.000 C55 C -11.83300 81.93100 46.83700 1.000 O56 O -12.82800 81.31300 46.48200 1.000 N57 N -10.64500 81.77400 46.29800 1.000 C58 C -11.90700 85.89300 49.33600 1.000 C59 C -10.64200 86.78000 49.15000 1.000 C60 C -9.45800 85.98900 48.58900 1.000 O61 O -9.11100 84.89900 49.06500 1.000 N62 N -8.83500 86.55800 47.56100 1.000 C63 C -13.02500 86.61200 50.06300 1.000 C64 C -10.56600 80.71900 45.27300 1.000 C65 C -10.32300 79.36800 45.94900 1.000 C66 C -9.84500 78.30000 44.95300 1.000 O67 O -9.24400 79.57700 46.90900 1.000 O68 O -10.79100 78.85100 48.79000 1.000 O69 O -8.43100 79.84100 49.27800 1.000 P70 P -9.37800 79.00700 48.41700 1.000 O71 O -8.66600 77.53500 48.28900 1.000 C72 C -7.29500 77.49000 48.01800 1.000 C73 C -6.31900 77.50600 49.17600 1.000 O74 O -6.76200 78.18100 50.31800 1.000 C75 C -6.08400 75.99400 49.43300 1.000 O76 O -6.07900 75.44600 48.15500 1.000 C77 C -7.05700 76.10600 47.32000 1.000 C78 C -6.55000 76.21700 45.89100 1.000 O79 O -5.37500 77.09300 45.90400 1.000 N80 N -7.15700 75.30300 50.14600 1.000 C81 C -7.17700 73.94200 50.43900 1.000 C82 C -8.28200 75.82300 50.63500 1.000 N83 N -9.03500 74.92000 51.23100 1.000 C84 C -8.36200 73.70200 51.11900 1.000 C85 C -8.65800 72.39100 51.53800 1.000 C86 C -7.71300 71.40100 51.22900 1.000 C87 C -7.91600 69.95800 51.63600 1.000 C88 C -6.47500 71.66400 50.51600 1.000 C89 C -5.52200 70.56800 50.22900 1.000 C90 C -6.21100 72.98700 50.11100 1.000 H91 H -11.71000 84.76800 51.78500 1.000 H92 H -12.97700 84.77400 53.05800 1.000 H93 H -13.38100 84.23800 51.39200 1.000 H94 H -10.50900 87.75900 53.56300 1.000 H95 H -11.07100 86.05400 53.51400 1.000 H96 H -10.37500 86.81200 52.04200 1.000 H97 H -11.61300 88.82100 51.01000 1.000 H98 H -13.36800 89.01900 51.33600 1.000 H99 H -10.51900 91.04400 53.52600 1.000 H100 H -10.08700 89.81800 52.38100 1.000 H101 H -13.44600 88.62100 54.00400 1.000 H102 H -14.07100 86.39400 55.44000 1.000 H103 H -12.53300 85.81700 54.71400 1.000 H104 H -11.60600 88.18900 55.46100 1.000 H105 H -13.02400 88.19800 56.56200 1.000 H106 H -10.94400 84.97100 57.80800 1.000 H107 H -11.99700 84.90800 56.43400 1.000 H108 H -17.02700 88.29000 55.40700 1.000 H109 H -15.45400 87.49500 55.75300 1.000 H110 H -15.49000 89.12100 54.98900 1.000 H111 H -19.89400 86.85700 55.25500 1.000 H112 H -18.77800 85.55500 54.72100 1.000 H113 H -18.14900 86.94300 55.67200 1.000 H114 H -17.97200 89.41400 54.21400 1.000 H115 H -19.01300 89.37900 52.75100 1.000 H116 H -20.71200 89.90900 56.41300 1.000 H117 H -19.00900 90.00800 56.10900 1.000 H118 H -20.18500 87.77900 52.10100 1.000 H119 H -20.70200 85.81300 53.88300 1.000 H120 H -21.25400 85.62800 52.18400 1.000 H121 H -19.44400 84.15300 51.65300 1.000 H122 H -18.57600 84.55100 53.17400 1.000 H123 H -21.85500 82.03600 53.53400 1.000 H124 H -21.96000 83.27800 52.33200 1.000 H125 H -20.07100 86.18200 49.93300 1.000 H126 H -19.02400 86.48800 45.82800 1.000 H127 H -19.32400 87.44400 47.31900 1.000 H128 H -17.64100 87.08100 46.80900 1.000 H129 H -20.40900 84.52000 46.63500 1.000 H130 H -20.16300 83.86800 48.29100 1.000 H131 H -20.84500 85.51500 48.06500 1.000 H132 H -17.39900 84.52300 46.14100 1.000 H133 H -16.72900 82.47200 47.71400 1.000 H134 H -18.18800 82.91000 48.66600 1.000 H135 H -19.65400 82.50800 46.78400 1.000 H136 H -18.27400 82.42600 45.63700 1.000 H137 H -19.46900 78.92900 46.95300 1.000 H138 H -20.43200 80.31100 46.55000 1.000 H139 H -13.73300 84.14600 46.06700 1.000 H140 H -15.17700 83.10800 46.32100 1.000 H141 H -15.32800 84.64800 45.41000 1.000 H142 H -11.79000 86.94600 46.65700 1.000 H143 H -13.47400 86.44800 46.28300 1.000 H144 H -13.14900 87.54800 47.66500 1.000 H145 H -12.50900 84.23700 46.30600 1.000 H146 H -10.92200 84.65100 47.03900 1.000 H147 H -11.05000 82.89800 48.62500 1.000 H148 H -12.84400 82.81800 48.55100 1.000 H149 H -9.85600 82.32800 46.56300 1.000 H150 H -11.62300 85.00100 49.91400 1.000 H151 H -10.88200 87.59800 48.45500 1.000 H152 H -10.35700 87.20000 50.12600 1.000 H153 H -8.05000 86.10400 47.13900 1.000 H154 H -9.15100 87.44000 47.21000 1.000 H155 H -11.51100 80.68300 44.71000 1.000 H156 H -9.73700 80.93900 44.58400 1.000 H157 H -11.24000 79.02800 46.45300 1.000 H158 H -9.68400 77.35000 45.48300 1.000 H159 H -10.60700 78.16000 44.17200 1.000 H160 H -8.90200 78.62600 44.49100 1.000 H161 H -8.90600 80.19400 50.02100 1.000 H162 H -7.01700 78.28400 47.30900 1.000 H163 H -5.37200 77.94100 48.82600 1.000 H164 H -6.09100 78.14100 50.99000 1.000 H165 H -5.12100 75.85300 49.94400 1.000 H166 H -8.00200 75.54400 47.32500 1.000 H167 H -6.27200 75.22200 45.51300 1.000 H168 H -7.33200 76.64800 45.24800 1.000 H169 H -5.03500 77.18100 45.02100 1.000 H170 H -8.54700 76.86700 50.55200 1.000 H171 H -9.56800 72.15900 52.07100 1.000 H172 H -8.44800 69.42200 50.83600 1.000 H173 H -6.93800 69.48400 51.80700 1.000 H174 H -8.51000 69.91800 52.56100 1.000 H175 H -5.76500 70.11500 49.25700 1.000 H176 H -4.49900 70.97000 50.20000 1.000 H177 H -5.59400 69.80400 51.01700 1.000 H178 H -5.31000 73.24900 49.57600 1.000 H179 H -12.94000 87.69200 49.87100 1.000